3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid

C9H12N2O2 — CID 25220763

IUPAC3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1nc(C2CC2)cc1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-2-11-8(9(12)13)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyBZNYNHBRKZQZHZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.48
Rot. Bonds3

About 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid

3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid (PubChem CID 25220763) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid
PubChem CID25220763
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1nc(C2CC2)cc1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-2-11-8(9(12)13)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyBZNYNHBRKZQZHZ-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid (CID 25220763) is 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid is CCn1nc(C2CC2)cc1C(=O)O.
What is the InChIKey of 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid?
The InChIKey is BZNYNHBRKZQZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-11-8(9(12)13)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid?
3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 25220763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).